Information card for entry 2228077

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]- μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]
• Formula: C14 H8 Cd N2 O4
• Calculated formula: C14 H8 Cd N2 O4
• SMILES: [Cd]123(OC(=O)C(=O)O1)([n]1cccc4ccc5ccc[n]2c5c14)[O]=C1C(=[O][Cd]2(O1)[n]1cccc4ccc5ccc[n]2c5c14)O3
• Title of publication: <i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]
• Authors of publication: Lv, Yao-Kang; Gan, Li-Hua; Cao, Yong-Jie; Gao, Biao-Feng; Chen, Liu-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1440
• a: 9.7199 ± 0.0002 Å
• b: 10.3338 ± 0.0002 Å
• c: 13.1638 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1322.22 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes